5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C11H15ClN4O — CID 64669042

IUPAC5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1c(Cl)ncnc1NC1CCC(=O)N(C)C1
InChIInChI=1S/C11H15ClN4O/c1-7-10(12)13-6-14-11(7)15-8-3-4-9(17)16(2)5-8/h6,8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyQMAHHEKOODGASE-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.47
Rot. Bonds2

About 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 64669042) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID64669042
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1c(Cl)ncnc1NC1CCC(=O)N(C)C1
InChIInChI=1S/C11H15ClN4O/c1-7-10(12)13-6-14-11(7)15-8-3-4-9(17)16(2)5-8/h6,8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyQMAHHEKOODGASE-UHFFFAOYSA-N
XLogP1.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64655109
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
CID 64669197
5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80978849
6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 63730271
5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669595
5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64667801
5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
CID 166211068
5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 79728769
5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 114043853
5-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-1-methylpiperidin-2-one
CID 80826875
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 64669042) is 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is Cc1c(Cl)ncnc1NC1CCC(=O)N(C)C1.
What is the InChIKey of 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is QMAHHEKOODGASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7-10(12)13-6-14-11(7)15-8-3-4-9(17)16(2)5-8/h6,8H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 254.72 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64669042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).